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Tricalcium Phosphate
CAS: 7758-87-4 | H3CaO4P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7758-87-4
Molecular Formula:
H3CaO4P
Molecular Weight:
138.072 g/mol
Names and Synonyms:
Tricalcium Phosphate
Phosphoric acid, calcium salt (2:3)
Calcium orthophosphate
Calcium phosphate (Ca3(PO4)2)
Tricalcium phosphate
Tricalcium diphosphate
Calcium phosphate (3:2)
Calcium phosphate
Tricalcium orthophosphate
Calcium tertiary phosphate
Phosphoric acid calcium(2+) salt (2:3)
Tertiary calcium phosphate
Bonarka
Synthos
Tricalcium phosphate (Ca3(PO4)2)
α-Tricalcium phosphate
β-Tricalcium phosphate
Tribasic calcium phosphate
Synthograft
Posture
TCP
Calcium orthophosphate (Ca3(PO4)2)
Posture (calcium supplement)
TCP 10
Multifos
β-Whitlockite
β-TCP
Apamicron AP 12C
Ostram
C 13-09SF
Cerasorb
Ceredex
Osferion
TCP 118FG
Allogran-R
Vitoss
Calcium phosphate Ca0.75(PO4)0.5
C 13-09
Coveg
Calipharm T
Ossaplast
Tricafos P
TCP 10U
DET 10
Osferion G1
Phos Calcium P 24
TricOs
Cerasorb M
Calciresorb
Calcium phosphate (Ca10.5(PO4)7)
JAX TCP
Calcium phosphate (Ca1.5(PO4))
Cerasorb Curasan
Versacal MP
SuperPore
Tetrabones
Expandia R
nanoXIM-TCP 201
α-Ca3(PO4)2
EPSolute Instant S
Cafos MF
Tri-Cafos 200-7
Calcium phosphate (Ca9(PO4)6)
Identifiers:
SMILES:
O=P(O)(O)O.[Ca]
InChI:
InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | cas-melting-point | 1670 °C | Legacy Database |
| molecular_mass | 138.07 g/mol | Legacy Database | |
| density | 3.14 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Tricalcium_phosphate | Legacy Database | |
| cas-canonical-smile | [Ca].O=P(O)(O)O | Legacy Database | |
| cas-density | 3.14 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4) | Legacy Database | |
| cas-inchi-key | InChIKey=UUVBYOGFRMMMQL-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Tricalcium phosphate | Legacy Database | |
| wikipedia-name | Tricalcium phosphate | Legacy Database | |
| LogP | -1.3094000000000001 | RDKit | |
| Molecular | Molecular Weight | 138.072 g/mol | RDKit |
| Exact | Exact Molecular Weight | 137.939486186 g/mol | RDKit |
| Heavy | Heavy Atom Count | 6 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 77.76 Ų | RDKit |
| Molar | Molar Refractivity | 20.0169 | RDKit |
